In areas such as drug development, clinical diagnosis and biotechnology research, acquiring details about the kinetic parameters of enzymes is crucial. The correct design of an experiment is critical to collecting data suitable for analysis, modelling and deriving the correct information. As classical design methods are not targeted to the more complex kinetics being frequently studied, attention is needed to estimate parameters of such models with low variance. We demonstrate that a Bayesian approach (the use of prior knowledge) can produce major gains quantifiable in terms of information, productivity and accuracy of each experiment. Developing the use of Bayesian Utility functions, we have used a systematic method to identify the optimum experimental designs for a number of kinetic model data sets. This has enabled the identification of trends between kinetic model types, sets of design rules and the key conclusion that such designs should be based on some prior knowledge of K(M) and/or the kinetic model. We suggest an optimal and iterative method for selecting features of the design such as the substrate range, number of measurements and choice of intermediate points. The final design collects data suitable for accurate modelling and analysis and minimises the error in the parameters estimated.
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http://dx.doi.org/10.1016/s0165-022x(02)00183-5 | DOI Listing |
Comput Biol Chem
January 2025
College of Artificial Intelligence, Tianjin University of Science and Technology, No. 9, 13th Street, Tianjin Economic-Technological Development Area, Tianjin, 300457, China. Electronic address:
The enzyme turnover number (k) is crucial for understanding enzyme kinetics and optimizing biotechnological processes. However, experimentally measured k values are limited due to the high cost and labor intensity of wet-lab measurements, necessitating robust computational methods. To address this issue, we propose PreTKcat, a framework that integrates pre-trained representation learning and machine learning to predict k values.
View Article and Find Full Text PDFSci Total Environ
January 2025
Univ. Orléans, CNRS, BRGM, ISTO, UMR 7327, F-45071, Orléans, France. Electronic address:
Mine tailing deposits pose a global problem, as they may contain metal contaminants in various geochemical forms and are likely to be leached from the surface into the underlying groundwater, which can result in health and/or environmental risks. Unfortunately, little is currently known regarding the water flow and mass balance related to leaching in the vadose zone as these factors are still difficult to measure at the field scale. A pilot-scale experiment was run in a 1 m instrumented column for 6 months to address this issue.
View Article and Find Full Text PDFInt J Biol Macromol
January 2025
The College of Forestry, Beijing Forestry University, 100083, Beijing, PR China. Electronic address:
This study aims to address the challenge of detoxifying ginkgolic acid and transform it from waste into a valuable resource. By using pseudo-template molecular imprinting technology to chemically modify polysaccharide materials, we developed a polysaccharide-based molecular imprinted material (MMCC-CD/CS-MIP) for the targeted separation and controlled release of ginkgolic acid. Under optimal conditions, MMCC-CD/CS-MIP demonstrated excellent adsorption performance (Q = 47.
View Article and Find Full Text PDFEcotoxicol Environ Saf
January 2025
College of Resources and Environmental Sciences, Gansu Agricultural University, Lanzhou 730070, PR China; Gansu Provincial Key Laboratory of Arid land Crop Science, Gansu Agricultural University, Lanzhou 730070, PR China. Electronic address:
The contamination of water and soil by heavy metals (HMs) is a global issue that should be given much more concern. Modified nano-zero-valent iron (nZVI) composites offer an effective strategy for HMs remediation, but few studies have focused on removing coexisting HMs and the eco-toxicity of the composite. In this study, corn straw biochar-supported nZVI composites (nZVI-BC) were synthesized, characterized and used for the removal of Cr, Pb, and Cd in single and multi-system at different composites dosages, metal concentrations, and solution pH.
View Article and Find Full Text PDFUnlabelled: Eastern equine encephalitis virus (EEEV) is an arthropod-borne, positive-sense RNA alphavirus posing a substantial threat to public health. Unlike similar viruses such as SARS-CoV-2, EEEV replicates efficiently in neurons, producing progeny viral particles as soon as 3-4 hours post-infection. EEEV infection, which can cause severe encephalitis with a human mortality rate surpassing 30%, has no licensed, targeted therapies, leaving patients to rely on supportive care.
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